>compound trans-2-Hexenal_trans-2-Hexenal
#instrument UPLC Q-Tof Premier, Waters
>formula C6H10O
#smiles CCCC=CC=O
#RECORD LC-ESI-QTOF_train_data/PR100058.txt
>charge 1
>ionization [M+H]+
>parentmass 99.08096

>collision 5-60
81.0533 25.56
99.081 62.01

